4-[3-(5-benzyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-5-ethyl-2-fluorophenol

C28H26FN5O — CID 137223928

IUPAC4-[3-(5-benzyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-5-ethyl-2-fluorophenol
SMILESCCC1=CC(=C(C=C1C2=CC3=C(C=C2)C(=NN3)C4=NC5=C(N4)CN(CC5)CC6=CC=CC=C6)F)O
InChIInChI=1S/C28H26FN5O/c1-2-18-13-26(35)22(29)14-21(18)19-8-9-20-24(12-19)32-33-27(20)28-30-23-10-11-34(16-25(23)31-28)15-17-6-4-3-5-7-17/h3-9,12-14,35H,2,10-11,15-16H2,1H3,(H,30,31)(H,32,33)
InChIKeyRPBVDGGEBWEVKD-UHFFFAOYSA-N
MW467.50 g/mol
LogP5.00
Rot. Bonds5

About 4-[3-(5-benzyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-5-ethyl-2-fluorophenol

4-[3-(5-benzyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-5-ethyl-2-fluorophenol (PubChem CID 137223928) has the molecular formula C28H26FN5O and a molecular weight of 467.50 g/mol. Its IUPAC name is 4-[3-(5-benzyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-5-ethyl-2-fluorophenol.

Molecular Properties

Compound Name4-[3-(5-benzyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-5-ethyl-2-fluorophenol
PubChem CID137223928
Molecular FormulaC28H26FN5O
Molecular Weight467.50 g/mol
Exact Mass467.21
IUPAC Name4-[3-(5-benzyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-5-ethyl-2-fluorophenol
SMILESCCC1=CC(=C(C=C1C2=CC3=C(C=C2)C(=NN3)C4=NC5=C(N4)CN(CC5)CC6=CC=CC=C6)F)O
InChIInChI=1S/C28H26FN5O/c1-2-18-13-26(35)22(29)14-21(18)19-8-9-20-24(12-19)32-33-27(20)28-30-23-10-11-34(16-25(23)31-28)15-17-6-4-3-5-7-17/h3-9,12-14,35H,2,10-11,15-16H2,1H3,(H,30,31)(H,32,33)
InChIKeyRPBVDGGEBWEVKD-UHFFFAOYSA-N
XLogP5.00
TPSA80.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity707

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[3-(5-benzyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-5-ethyl-2-fluorophenol with MolForge

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Related Compounds

PF-06263276
CID 135567296
PF-1367550
CID 135567293
4-(3-(1H-Benzimidazol-2-YL)-1H-indazol-6-YL)-2-methoxyphenol
CID 135446004
Indazole-benzimidazole, 1
CID 135839312
{2-[6-(2-Ethyl-5-fluoro-4-hydroxy-phenyl)-1H-indazol-3-yl]-1,4,6,7-tetrahydro-imidazo[4,5-c]pyridin-5-yl}-(4-fluoro-phenyl)-methanone
CID 136263939
1-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 137656346
Nezulcitinib
CID 146421275
2-methoxy-4-{3-[4-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-indazol-6-yl}phenol
CID 135928471
Indazole-benzimidazole, 4
CID 135928472
Indazole-benzimidazole, 5
CID 135928473
Indazole-benzimidazole, 12
CID 135928479
3-ethyl-4-[3-(1H-imidazol-2-yl)-1H-indazol-6-yl]phenol
CID 137645020

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-benzyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-5-ethyl-2-fluorophenol?
The IUPAC name of 4-[3-(5-benzyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-5-ethyl-2-fluorophenol (CID 137223928) is 4-[3-(5-benzyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-5-ethyl-2-fluorophenol.
What is the SMILES notation for 4-[3-(5-benzyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-5-ethyl-2-fluorophenol?
The canonical SMILES for 4-[3-(5-benzyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-5-ethyl-2-fluorophenol is CCC1=CC(=C(C=C1C2=CC3=C(C=C2)C(=NN3)C4=NC5=C(N4)CN(CC5)CC6=CC=CC=C6)F)O.
What is the InChIKey of 4-[3-(5-benzyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-5-ethyl-2-fluorophenol?
The InChIKey is RPBVDGGEBWEVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN5O/c1-2-18-13-26(35)22(29)14-21(18)19-8-9-20-24(12-19)32-33-27(20)28-30-23-10-11-34(16-25(23)31-28)15-17-6-4-3-5-7-17/h3-9,12-14,35H,2,10-11,15-16H2,1H3,(H,30,31)(H,32,33).
What are the key properties of 4-[3-(5-benzyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-5-ethyl-2-fluorophenol?
4-[3-(5-benzyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-5-ethyl-2-fluorophenol has a molecular weight of 467.50 g/mol, XLogP of 5.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-benzyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-5-ethyl-2-fluorophenol is sourced from PubChem (CID 137223928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).